%chk=000271662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271662

0 1
S -0.361963 0.044049 0.879897
O 0.636410 2.915844 -0.243902
O -2.636077 1.444844 -1.807792
N -2.364469 2.338133 0.261649
C 1.046560 0.553657 -0.186599
C -1.866929 -0.082918 -0.131740
C 0.749775 0.549438 -1.688927
C -2.920106 -0.727618 0.767941
C 2.253498 -0.295128 0.124432
C -4.194976 -1.053459 -0.026306
C 1.163518 2.001591 0.348161
C 0.520502 -0.835021 -2.280742
C -5.267414 -1.678115 0.876066
C -2.295935 1.284897 -0.645731
C 3.519207 0.196727 -0.252252
C 2.164006 -1.556927 0.724494
C 1.908079 2.204473 1.630572
C -6.534098 -2.009672 0.090852
C 4.670725 -0.550430 -0.005832
C 3.324033 -2.301878 0.971200
C 4.577212 -1.802494 0.613025
H -1.663098 -0.740028 -1.027025
H 1.605731 1.032653 -2.212942
H -0.111437 1.218030 -1.919876
H -2.519828 -1.660037 1.219570
H -3.171710 -0.061888 1.619632
H -4.592470 -0.134144 -0.504192
H -3.959243 -1.738833 -0.863405
H 1.336791 -1.527458 -2.039345
H -0.417078 -1.289228 -1.924159
H 0.449192 -0.779764 -3.375005
H -5.513911 -0.985084 1.704700
H -4.873524 -2.596178 1.354384
H 3.604001 1.162068 -0.749863
H 1.200313 -1.987642 1.001513
H 1.665321 3.179831 2.078437
H 2.996609 2.189603 1.468262
H 1.695543 1.429539 2.381094
H -7.299966 -2.448333 0.740146
H -6.968872 -1.114726 -0.370476
H -6.336004 -2.726388 -0.714438
H 5.644355 -0.160450 -0.299613
H 3.242733 -3.280059 1.444049
H 5.476202 -2.383962 0.807890
H -1.892004 2.303991 1.151471
H -2.495405 3.271795 -0.110377


%chk=000271662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271662

0 1
S -0.324500 -0.341889 0.878839
O 0.775749 2.733526 -0.773160
O -2.872731 1.843221 -1.331314
N -2.169534 2.233782 0.854428
C 1.096539 0.351730 -0.277159
C -1.941517 -0.043674 -0.098892
C 0.771461 0.126869 -1.775737
C -3.036809 -0.850853 0.652625
C 2.422157 -0.320674 0.115746
C -4.412273 -0.811508 -0.056078
C 1.131092 1.868911 0.070967
C 0.667144 -1.350110 -2.200971
C -5.463380 -1.677155 0.676240
C -2.339918 1.434540 -0.257080
C 3.621127 0.290486 -0.346082
C 2.518927 -1.531776 0.843374
C 1.622233 2.279434 1.456540
C -6.841983 -1.648072 -0.018049
C 4.879233 -0.289480 -0.081666
C 3.780399 -2.113069 1.110410
C 4.965111 -1.496419 0.651514
H -1.808765 -0.453520 -1.112106
H 1.580042 0.620100 -2.350623
H -0.143930 0.687336 -2.036418
H -2.698516 -1.902929 0.731567
H -3.141089 -0.465211 1.686460
H -4.775389 0.231524 -0.125516
H -4.300364 -1.167264 -1.100118
H 1.623049 -1.882404 -2.051399
H -0.105321 -1.889704 -1.622515
H 0.402725 -1.416646 -3.271581
H -5.567416 -1.320264 1.721555
H -5.100657 -2.723696 0.738484
H 3.569105 1.222702 -0.923347
H 1.607990 -2.027268 1.194257
H 1.000021 3.108724 1.834581
H 2.657072 2.660961 1.369724
H 1.623208 1.443923 2.173464
H -7.579653 -2.270318 0.521119
H -7.239002 -0.616825 -0.066758
H -6.771859 -2.027390 -1.054779
H 5.789960 0.197693 -0.447655
H 3.834031 -3.050789 1.674978
H 5.941121 -1.948695 0.859297
H -1.632454 1.895353 1.654326
H -2.418637 3.220089 0.787405


